WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 406498
CAS#: 1052645-73-4
Description: CH5164840 is a potent and selective HSP90 inhibitor. CH5164840 showed remarkable antitumor activity against NSCLC cell lines and xenograft models. CH5164840 has potent antitumor activity and is highly effective in combination with erlotinib against NSCLC tumors with EGFR overexpression and mutations.
MedKoo Cat#: 406498
Name: CH5164840
CAS#: 1052645-73-4
Chemical Formula: C19H23N5O2S
Exact Mass: 385.15725
Molecular Weight: 385.48322
Elemental Analysis: C, 59.20; H, 6.01; N, 18.17; O, 8.30; S, 8.32
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Synonym: CH5164840; CH-5164840; CH 5164840.
IUPAC/Chemical Name: 7 -Thia-3,5,11,15-tetraazatricyclo[15.3.1.12,6]docosa-1(21),2,4,6(22),17,19-hexaene-10,16-dione, 4-amino-18,20-dimethyl-.
InChi Key: OMFBVBRFVYLRQT-UHFFFAOYSA-N
InChi Code: InChI=1S/C19H23N5O2S/c1-11-8-12(2)14-9-13(11)15-10-17(24-19(20)23-15)27-7-4-16(25)21-5-3-6-22-18(14)26/h8-10H,3-7H2,1-2H3,(H,21,25)(H,22,26)(H2,20,23,24)
SMILES Code: NC1=NC(C(C=C2C(NCCCN3)=O)=C(C)C=C2C)=CC(SCCC3=O)=N1
Appearance: white solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 385.48322 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Kanamaru C, Yamada Y, Hayashi S, Matsushita T, Suda A, Nagayasu M, Kimura K, Chiba S. Retinal toxicity induced by small-molecule Hsp90 inhibitors in beagle dogs. J Toxicol Sci. 2014;39(1):59-69. PubMed PMID: 24418710.
2: Saitoh R, Nagayasu M, Shibahara N, Ono N, Suda A, Kato M, Ishigai M. Assessing the Impact of HER2 Status on the Antitumor Activity of an HSP90 Inhibitor in Human Tumor Xenograft Mice using Pharmacokinetics-Pharmacodynamic Modeling. Drug Metab Pharmacokinet. 2013 Oct 15. [Epub ahead of print] PubMed PMID: 24126359.
3: Ono N, Yamazaki T, Tsukaguchi T, Fujii T, Sakata K, Suda A, Tsukuda T, Mio T, Ishii N, Kondoh O, Aoki Y. Enhanced antitumor activity of erlotinib in combination with the Hsp90 inhibitor CH5164840 against non-small-cell lung cancer. Cancer Sci. 2013 Oct;104(10):1346-52. doi: 10.1111/cas.12237. Epub 2013 Aug 20. PubMed PMID: 23863134.
4: Suda A, Koyano H, Hayase T, Hada K, Kawasaki K, Komiyama S, Hasegawa K, Fukami TA, Sato S, Miura T, Ono N, Yamazaki T, Saitoh R, Shimma N, Shiratori Y, Tsukuda T. Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors. Bioorg Med Chem Lett. 2012 Jan 15;22(2):1136-41. doi: 10.1016/j.bmcl.2011.11.100. Epub 2011 Dec 1. PubMed PMID: 22192591.
5: Ono N, Yamazaki T, Nakanishi Y, Fujii T, Sakata K, Tachibana Y, Suda A, Hada K, Miura T, Sato S, Saitoh R, Nakano K, Tsukuda T, Mio T, Ishii N, Kondoh O, Aoki Y. Preclinical antitumor activity of the novel heat shock protein 90 inhibitor CH5164840 against human epidermal growth factor receptor 2 (HER2)-overexpressing cancers. Cancer Sci. 2012 Feb;103(2):342-9. doi: 10.1111/j.1349-7006.2011.02144.x. Epub 2011 Dec 13. PubMed PMID: 22050138.
Structure comparison between CH5015765 , CH5138303 and CH5164804
